3-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 3-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCN

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=CC(=C3)C#N)CCN

InChI

InChI=1S/C20H21N5S/c21-11-9-19-23-24-20(25(19)12-10-16-5-2-1-3-6-16)26-15-18-8-4-7-17(13-18)14-22/h1-8,13H,9-12,15,21H2